SCHEMBL20677201

SCHEMBL20677201

NC(=O)CC(O)(O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13560384 0.78 KMT2A (0.41) TET2KDM4EGMNNUSP2ALDH1A1
SCHEMBL8466961 0.74 ACLY (0.48) TET2KDM4EALDH1A1CYP2C19TDP1
SCHEMBL2126402 0.74 KDM4E (0.33) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL3188769 0.74 HTT (0.35) TET2KDM4ELMNA
SCHEMBL211941 0.73
SCHEMBL19299918 0.72 ALDH1A1 (0.33) TET2ALDH1A1TDP1ACLY
SCHEMBL16385276 0.72 TSHR (0.33) TET2ALDH1A1TP53ACLY
SCHEMBL16173984 0.72 FAAH (0.36) TET2CYP1A2HSD17B10ACLY
Hydrochloric Acid SCHEMBL6357189 0.71
SCHEMBL15269810 0.70 KDM4E (0.31) KDM4EGMNNUSP2ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3432934-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 EP disclosed